SCHEMBL21987006

SCHEMBL21987006

O=C(NCCOC(=O)Nc1cccc2ccccc12)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PLAU P00749 1/20 0.58
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GSK3B P49841 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM6B O15054 2/20 0.51
KDM4C Q9H3R0 2/20 0.51
KDM4A O75164 1/20 0.51
EGLN2 Q96KS0 1/20 0.51
EGLN1 Q9GZT9 1/20 0.51
EGLN3 Q9H6Z9 1/20 0.51
HIF1AN Q9NWT6 1/20 0.51
PHF8 Q9UPP1 1/20 0.51
TRPV1 Q8NER1 5/20 0.50
HTT P42858 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21987017 0.88 PLAU (0.60) LMNASMN1; SMN2PLAUALDH1A1HPGD
SCHEMBL21987042 0.85 LMNA (0.53) LMNASMN1; SMN2PLAUNPC1RAB9A
SCHEMBL21987033 0.81 DNMT1 (0.59) LMNASMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL9525235 0.81 ALDH1A1 (0.60) LMNASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL14974717 0.81 ALDH1A1 (0.63) LMNAPLAUALDH1A1HPGDKDM4E
SCHEMBL9525406 0.81 ALDH1A1 (0.56) LMNASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL21987086 0.80 SMN1; SMN2 (0.52) LMNASMN1; SMN2PLAUNPC1RAB9A
SCHEMBL9525247 0.79 ALDH1A1 (0.54) LMNASMN1; SMN2ALDH1A1HPGDKDM4E
SCHEMBL7765665 0.78 ANPEP (0.64) PLAUKDM4EGSK3BHTTHDAC3
SCHEMBL14974566 0.78 ALDH1A1 (0.59) LMNAPLAUALDH1A1HPGDKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020109233-A2 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES FORSCHUNGSZENTRUM JÜLICH GMBH FACHBEREICH PATENTE (R-P) (DE) 2020-06-04 WO disclosed
EP-3659593-A1 TRMT2A INHIBITORS FOR USE IN THE TREATMENT OF POLYGLUTAMINE DISEASES Forschungszentrum Jülich GmbH/ Abteilung RP-PT (DE) 2020-06-03 EP disclosed